Publications

2025

Publication

• "A New Class of Vitamin K Analogues Containing the Side Chain of Retinoic Acid Have Enhanced Activity for Inducing Neuronal Differentiation"
  Yoshihisa Hirota, Taiki Sato, Rina Watanabe, Kazuki Takeda, Sho Sano, Satoshi Asano, Yuki Shibahashi, Yumi Yasuda, Yuta Takagi, Yutaro Yamashita, Wu YuXin, Mikino Arakawa, Yuri Maitani, Vannessa Lawai, Kurumi Nakagawa, Natsuko Furukawa, Atsuko Takeuchi, Chisato Tode, Maya Kamao, Akimori Wada, Zainab Ngaini, Yoshitomo Suhara
  ACS Chemical Neuroscience 16, 15, 2812–2828 (2025).

  • DOI: https://doi.org/10.1021/acschemneuro.5c00111
• "Development and Mechanistic Evaluation of a Lithocholic Acid Derivative as an Environmentally Safe Rodenticide"
  Kazuki Takeda*, Kana Okamura, Satoru Nagaoka, Chiharu Ogura, Misaki Fukamatsu, Mayumi Degawa, Hiroyuki Kagechika, Kenji Ohgane, Ryo Kamata, Aya Tanatani*
  ACS Pharmacology & Translational Science (2025).

  • DOI: https://doi.org/10.1021/acsptsci.5c00059
• "Comprehensive molecular docking on the AlphaFold-predicted protein structure proteome: identifying target protein candidates for puberulic acid"
  Teppei Hayama, Rin Sugawara, Ryo Kamata, Masakazu Sekijima, Kazuki Takeda*
  The Journal of Toxicological Sciences 50, 7, 309-324 (2025).

  • DOI: https://doi.org/10.2131/jts.50.309
• "Protective function of the voltage-gated potassium channel Kv11.3 in a mouse model of cardiac ischemia/reperfusion injury"
  Hayato Sasaki, Kazuki Otake, Kazuki Takeda, Karin Tesaki, Eiki Takahashi, Jumpei Yasuda, Shizukaze Matsuda, Ayumu Kawasaki, Masaki Watanabe, Kosuke Otani, Muneyoshi Okada, Masakazu Sekijima, Hideyuki Yamawaki, Nobuya Sasaki
  PLOS One (2025).

  • URL
  • DOI: https://doi.org/10.1371/journal.pone.0323428
• "Comprehensive Molecular Docking on the AlphaFold-Predicted Protein Structure Proteome: Identifying Target Protein Candidates for Puberulic Acid, a Suspected Lethal Nephrotoxin"
  Teppei Hayama, Rin Sugawara, Ryo Kamata, Masakazu Sekijima, Kazuki Takeda
  bioRxiv (2025).

  • DOI: https://doi.org/10.1101/2025.01.30.635827

Domestic conference

• "Proposal and Accuracy Evaluation of a Proteome-Wide Chemical Target Identification Method Based on Molecular Docking: The Binding-Proteomics Approach"
  Kazuki Takeda
  8th Workshop on Drug Toxicity Mechanisms organized by the Japanese Society of Toxicology (JSOT) (2025).

  Invited Symposium: Integrative Computational Approaches to Decipher Toxicity Mechanisms
• "Evaluation of Testicular and Sperm Toxicity in Mice Following Mixed Exposure to Environmentally Relevant Concentrations of Perfluoroalkyl Substances (PFASs)"
  Aki Kanai, Wakana Yoshimura, Chihiro Kanno, Hiromi Kusaka, Makoto Sugiyama, Masashi Nagano, Ryo Kamata, Kazuki Takeda
  8th Workshop on Drug Toxicity Mechanisms organized by the Japanese Society of Toxicology (JSOT) (2025).
• "Reproductive Toxicity Assessment of Benzyl 2-Naphthyl Ether (BNE), a Contaminant Derived from Recycled Paper Mill Effluent, Using a Zebrafish Exposure Assay"
  齋藤 日菜, 武田 一貴 寺崎 正紀, 江口 哲史, 久保田 彰,鎌田 亮
  8th Workshop on Drug Toxicity Mechanisms organized by the Japanese Society of Toxicology (JSOT) (2025).
• "Alcohol and Organophosphate Metabolic Capacity in Elephants: A Study Based on Gene Expression, Enzymatic Dynamics, and Structural Analysis"
  Ayuko Morita, Kanami Watanabe, Poapolathep Amnar, Poapolathep Saranya, Saengtienchai Aksorn, Khidkhan Kraisiri, Sripiboon Supaphen, Srikulnath Kornsorn, Thitaram Chatchote, Somgid Chaleamcha, Angkawanish Taweepoke, Langkaphin Warangkhana, Mitsuki Kondo, Kazuki Takeda, Yoshinori Ikenaka, Shouta MM Nakayama, Mayumi Ishizuka
  The 48th Annual Meeting of the Molecular Biology Society of Japan (MBSJ) (2025).
• "Is Paper Recycling Truly Eco-Friendly? Evaluating the Toxic Effects of Recycled Paper Wastewater Using Zebrafish"
  Kazuki Takeda, Hina Saito, Masanori Terasaki, Akira Kubota, Akifumi Eguchi, Ryo Kamata
  The 11th Zebrafish and Medaka Drug Discovery Conference (2025).
• "Prediction of Ligand Binding Affinity to the Estrogen Receptor (ER) Using Protein Structure Prediction and Molecular Docking Simulations"
  Yuka Nakamura, Teppei Hayama, Rin Sugawara, Ryo Kamata, Kazuki Takeda
  168th Annual Meeting of the Japanese Society of Veterinary Science (2025).
• "Analysis of Factors Affecting Stunning Success and the Relationship Between Cattle Behavioral Responses During Slaughter and Meat Quality Traits"
  Sawa Ogino, Kazuki Takeda, Hiroshi Miura, Yosuke Maeda, Fumiaki Takahashi
  168th Annual Meeting of the Japanese Society of Veterinary Science (2025).
• "Structural Prediction and Identification of the Substrate Recognition Site of Vitamin K–Dependent Carboxylase (GGCX): An in silico Analysis Using AlphaFold"
  Konoha Inui, Teppei Hayama, Ryo Kamata, Kazuki Takeda
  168th Annual Meeting of the Japanese Society of Veterinary Science (2025).
• "Binding-Proteomics: Development of a Comprehensive Chemical Target Prediction Method Using Proteome-Wide Molecular Docking Against AlphaFold-Predicted Protein Structures"
  Teppei Hayama, Rin Sugawara, Ryo Kamata, Masakazu Sekijima, Kazuki Takeda
  168th Annual Meeting of the Japanese Society of Veterinary Science (2025).
• "Toxicological Evaluation of Benzyl 2-Naphthyl Ether (BNE), a Contaminant Derived from Recycled Paper Mill Effluent, Using a Zebrafish Exposure Assay"
  Hina Saito, Kazuki Takeda, Masanori Terasaki, Akifumi Eguchi, Akira Kubota, Ryo Kamata
  The 168th Annual Meeting of The Society of Japanese Veterinary Medical Sciences (2025).
• "Integrative Analysis of VKORC1 Polymorphisms Targeted by Warfarin-Type Rodenticides: Molecular Dynamics Simulations and Machine Learning–Based Detection of Resistance Mutations"
  宮前 萌優, 鎌田 亮, 武田 一貴
  The 168th Annual Meeting of The Society of Japanese Veterinary Medical Sciences (2025).
• "Rodenticide Use in Japan – Super Rats in Tokyo and Susceptibility of Invasive Black Rats to Rodenticides on Chichijima, Ogasawara Islands"
  Kazuki Takeda
  The Mammal Society of Japan Annual Meeting 2025 (2025).
• "Prediction of Anticoagulant Rodenticide Resistance through VKORC1 Variant Analysis Using Molecular Dynamics and Machine Learning"
  Moyu Miyamae, Ryo Kamata, Kazuki Takeda
  2nd Meeting of Researchers of Kitasato Institute (DocTALK) (2025).
• "Development of in silico target protein prediction pipeline by comprehensive molecular docking on the complete AlphaFold Proteome"
  Teppei Hayama, Rin Sugawara, Ryo Kamata, Masakazu Sekijima, Kazuki Takeda
  2nd Meeting of Researchers of Kitasato Institute (DocTALK) (2025).
• "分子動力学と機械学習を用いたVKORC1変異型解析による抗血液凝固系殺鼠剤抵抗性の予測"
  宮前 萌優, 鎌田 亮, 武田 一貴
  (2025).

  若手奨励賞
• "Testicular Toxicity Assessment of a Nine-Component PFAS Mixture at Human-Relevant Daily Exposure Levels in Mice"
  Wakana Yoshimura,Hiromi Kusaka, Chihiro Kanno, Makoto Sugiyama, Masashi Nagano, Ryo Kamata, Kazuki Takeda
  The 38th Kitasato University Bioscience Forum (2025).

  若手奨励賞
• "Development of an In Silico Target Protein Prediction Method via Comprehensive Molecular Docking to AlphaFold-Predicted Proteome Structures: A Case Study on Puberulic Acid"
  Teppei Hayama, Rin Sugawara, Ryo Kamata, Masakazu Sekijima, Kazuki Takeda
  4th Joint Conference on Environmental Chemicals (2025).

  American Chemical Society Award
• "Evaluation of Testicular Toxicity in Mice Induced by Mixed Exposure to Nine Linear Perfluoroalkyl Compounds at Levels Equivalent to Daily Human Intake"
  Wakana Yoshimura,Hiromi Kusaka, Chihiro Kanno, Makoto Sugiyama, Masashi Nagano, Ryo Kamata, Kazuki Takeda
  4th Joint Conference on Environmental Chemicals (2025).

  Young Investigator Award, Japanese Society of Environmental Toxicology
• "Development of an Odor Prediction Model Using Molecular Docking Simulations and Machine Learning"
  Koki Takaguchi, Keita Yamauchi, Akifumi Eguchi, Kazuki Takeda
  4th Joint Conference on Environmental Chemicals (2025).
• "Rodenticidal Effect and Mechanistic Elucidation of Dcha-20, a Lithocholic Acid Derivative with a Novel Mode of Action"
  Misaki Fukamatsu, Chiharu Ogura, Satoru Nagaoka, Kana Okamura, Miyuna Yoshiwara, Hiroyuki Kagechika, Ryo Kamata, Aya Tanatani, Kazuki Takeda
  4th Joint Conference on Environmental Chemicals (2025).

  Wellignton Laboratories Award
• "Rodenticidal Effect and Toxicity Mechanism of Dcha-20, a Novel Vitamin D Receptor Agonist with a Lithocholic Acid Scaffold"
  Misaki Fukamatsu, Chiharu Ogura, Satoru Nagaoka, Kana Okamura, Miyuna Yoshiwara, Hiroyuki Kagechika, Ryo Kamata, Aya Tanatani, Kazuki Takeda
  52nd Annual Meeting of the Japanese Society of Toxicology (2025).

  学生ポスター発表賞受賞
• "Summary of Career Path Survey at the 51st JSOT Annual Meeting Based on Machine Learning Analysis"
  Kazuki Takeda
  52nd Annual Meeting of the Japanese Society of Toxicology (2025).

  Invited
• "Toxicology × Emerging Technologies: Rethinking the Future of Toxicology – Introduction"
  Kazuki Takeda
  52nd Annual Meeting of the Japanese Society of Toxicology (2025).

  Invited
• "Accuracy Assessment of Binding Proteomics: A Comprehensive Molecular Docking-Based Target Identification Method"
  Rin Sugawara, Teppei Hayama, Ryo Kamata, Kazuki Takeda
  52nd Annual Meeting of the Japanese Society of Toxicology (2025).
• "Identification of Potential Toxicity Targets of Puberulic Acid via Comprehensive Molecular Docking “Binding Proteomics” Analysis on the Protein Structure Proteome"
  Kazuki Takeda, Teppei Hayama, Rin Sugawara, Masakazu Sekijima, Ryo Kamata
  52nd Annual Meeting of the Japanese Society of Toxicology (2025).
• "Evaluation of Testicular Toxicity in Male Mice Induced by Mixed Exposure to Nine Perfluoroalkyl Substances (PFASs) at Levels Equivalent to Daily Intake"
  Wakana Yoshimura,Hiromi Kusaka, Chihiro Kanno, Makoto Sugiyama, Masashi Nagano, Ryo Kamata, Kazuki Takeda
  52nd Annual Meeting of the Japanese Society of Toxicology (2025).
• "Application of the Non-Secosteroidal Vitamin D Derivative Dcha-20 as a Rodenticide"
  Miyuna Yoshiwara, Chiharu Ogura, Satoru Nagaoka, Misaki Fukamatsu, Kana Okamura, Hiroyuki Kagechika, Ryo Kamata, Aya Tanatani, Kazuki Takeda
  77th Annual Meeting of The Vitamin Society of Japan (2025).

  • URL
• "Development of Derivatives of Vitamin K3 with Enhanced 3CL Protease Inhibitory Activity"
  Miki Sasajima, Mika Okamoto, Ryohto Oharazawa, Mayu Hayamawa, Kazuki Takeda, Hirohisa Hirota, Masanori Baba, Yoshitomo Suhara
  77th Annual Meeting of The Vitamin Society of Japan (2025).

  • URL
• "Unraveling Drug Sensitivity, Species Differences, and Individual Variability of Vitamin K Cycle-Related Proteins through Structural Science"
  Kazuki Takeda
  77th Annual Meeting of The Vitamin Society of Japan (2025).

  • URL

  Special Lecture by Young Investigators
• "Rodenticidal Activity of the Lithocholic Acid Derivative Dcha-20"
  Aya Tanatani, Kana Okamura, Chiharu Ogura, Kazuki Takeda, Satoru Nagaoka, Hiroyuki Kagechika
  77th Annual Meeting of The Vitamin Society of Japan (2025).

  • URL
• "Structural characterization of the human olfactory receptor superfamily"
  Keita Yamauchi, Koki Takaguchi, Teppei Hayama, Rin Sugawara, Ryo Kamata, Akifumi Eguchi, Kazuki Takeda
  7th Spring Meeting of the Japanese Society of Veterinary Pharmacology and Toxicology (2025).
• "A Novel Species-Sensitive Animal Species Difference Assessment Method for Anti-Haemagglutinating Rodenticides by Machine Learning of Target Molecular Structure Modeling"
  Moyu Miyamae;Sanae Yamamoto;Ryo Kamata;Kazuki Takeda
  7th Spring Meeting of the Japanese Society of Veterinary Pharmacology and Toxicology (2025).
• "''Structural Tokicology" from Towada Campus, Aomori, Japan"
  Kazuki Takeda
  1st Meeting of Researchers of Kitasato Institute (2025).

  • URL
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  優秀発表賞受賞
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  Kazuki Takeda
  null (2025).

  指名シンポジウム

International conference

• "Exploring Antiviral Drug Interactions with Elephant Endotheliotropic Herpesvirus through Molecular Docking Simulation"
  Ayuko Morita, Kazuki Takeda, Yoshinori Ikenaka, Shouta M.M. Nakayama, Mayumi Ishizuka
  21st International Elephant Conservation and Research Symposium (2025).
• "Evaluation of species differences in susceptibility to anticoagulant rodenticides based on in silico protein structure analysis"
  Moyu Miyamae, Sanae Yamamoto, Ryo Kamata, Kazuki Takeda
  The Pure and Applied Chemistry International Conference (PACCON) 2025 (2025).

  Invited

Awards

• "Young Scientist Award, Prediction of Anticoagulant Rodenticide Resistance through VKORC1 Variant Analysis Using Molecular Dynamics and Machine Learning"
  宮前 萌優
  38th Kitasato University Bioscience Forum (2025) (2025).
• "Young Scientist Award, Testicular Toxicity Assessment of a Nine-Component PFAS Mixture at Human-Relevant Daily Exposure Levels in Mice"
  Wakana Yoshimura
  38th Kitasato University Bioscience Forum (2025) (2025).
• "American Chemical Society Award: Development of an In Silico Target Protein Prediction Method via Comprehensive Molecular Docking to AlphaFold-Predicted Proteome Structures: A Case Study on Puberulic Acid"
  Teppei Hayama
  4th Joint Conference on Environmental Chemicals (2025).
• "Young Investigator Award, Japanese Society of Environmental Toxicology: Evaluation of Testicular Toxicity in Mice Induced by Mixed Exposure to Nine Linear Perfluoroalkyl Compounds at Levels Equivalent to Daily Human Intake"
  Wakana Yoshimura
  4th Joint Conference on Environmental Chemicals (2025).
• "Wellignton Laboratories Award: Rodenticidal Effect and Mechanistic Elucidation of Dcha-20, a Lithocholic Acid Derivative with a Novel Mode of Action"
  Misaki Fukamatsu
  4th Joint Conference on Environmental Chemicals (2025).
• "Student Poster Presentation Award: Mechanistic Analysis of Dcha-20, a Novel Rodenticide with a Lithocholic Acid Scaffold"
  Misaki Fukamatsu
  52nd Annual Meeting of the Japanese Society of Toxicology (2025).
• "Best Article 2024 "Assessment of the Aryl Hydrocarbon Receptor–Mediated Effects of Aromatic Sensitizers in Paper Recycling Effluent Employing Zebrafish Embryos and in Silico Docking""
  Kazuki Takeda and Ryo Kamata
  School of Veterinary Medicine, Kitasato University (2025).

  • URL
  • DOI: https://doi.org/10.1002/etc.5969
• "Excellent Presentation Award: Development of an In Silico Evaluation Method for Chemical Binding Proteins Through Comprehensive Molecular Docking Simulation"
  Rin Sugawara
  7th Pharmaceutical Toxicity Mechanisms Conference (2025).

  • URL

Japanese Proceedings

• "Structural Science–Based Target Discovery via Proteome-Wide Docking on AlphaFold Structures"
  Kazuki Takeda
  Newsletter of the Japanese Society of Endocrine Disruptors Research 28, 2, 12 (2025).
• "Cutting-Edge Toxicology at Kitasato University: Predicting Chemical Effects with Artificial Intelligence"
  Daily Tohoku
  (2025).

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